N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide

C26H20F3N3O2 — CID 175362644

IUPACN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1F)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C26H20F3N3O2/c1-32(26(34)16-8-7-15(9-19(16)27)14-5-3-2-4-6-14)23-13-30-12-22-24(23)17-10-20(28)21(29)11-18(17)25(33)31-22/h2-11,23,30H,12-13H2,1H3,(H,31,33)/t23-/m0/s1
InChIKeyPVNRHDVTLDUIBW-QHCPKHFHSA-N
MW463.46 g/mol
LogP4.53
Rot. Bonds3

About N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide

N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide (PubChem CID 175362644) has the molecular formula C26H20F3N3O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide
PubChem CID175362644
Molecular FormulaC26H20F3N3O2
Molecular Weight463.46 g/mol
Exact Mass463.15
IUPAC NameN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1F)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C26H20F3N3O2/c1-32(26(34)16-8-7-15(9-19(16)27)14-5-3-2-4-6-14)23-13-30-12-22-24(23)17-10-20(28)21(29)11-18(17)25(33)31-22/h2-11,23,30H,12-13H2,1H3,(H,31,33)/t23-/m0/s1
InChIKeyPVNRHDVTLDUIBW-QHCPKHFHSA-N
XLogP4.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-3,5-difluoro-N-methylbenzamide
CID 166526795
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526783
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-5,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526638
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 166526527
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526823
4-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166525960
4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526848
8-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylindolizine-2-carboxamide
CID 166526061
4-chloro-3,5-difluoro-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylbenzamide
CID 166526750
N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
CID 163919840
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide
CID 171750638
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 166526087

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide (CID 175362644) is N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide is CN(C(=O)c1ccc(-c2ccccc2)cc1F)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide?
The InChIKey is PVNRHDVTLDUIBW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H20F3N3O2/c1-32(26(34)16-8-7-15(9-19(16)27)14-5-3-2-4-6-14)23-13-30-12-22-24(23)17-10-20(28)21(29)11-18(17)25(33)31-22/h2-11,23,30H,12-13H2,1H3,(H,31,33)/t23-/m0/s1.
What are the key properties of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide?
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide has a molecular weight of 463.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 175362644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).